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1-chloranylisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one

1-chloranylisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one

Systemtic Name:1-chloranylisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one
Openeye Name:1-chloroisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one
CAS Name:1-chloroisoquinoline; 1-sulfonyl-3-pyrrolidin-1-iumone
IUPAC Name:1-chloroisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one
Traditional Name:1-chloroisoquinoline; 1-sulfonylpyrrolidin-1-ium-3-one
Formula: C13H12ClN2O3S+
MolecularWeight: 311.76398
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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CC1=O.C1=CC=C2C(=C1)C=CN=C2Cl


Isomeric SMILES

C1C[N+](=S(=O)=O)CC1=O.C1=CC=C2C(=C1)C=CN=C2Cl


InChI

InChI=1S/C9H6ClN.C4H6NO3S/c10-9-8-4-2-1-3-7(8)5-6-11-9;6-4-1-2-5(3-4)9(7)8/h1-6H;1-3H2/q;+1


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